In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 26 | Yes |
Popular Name: [[(2S)-3-ethoxy-2-hydroxy-propyl]-isobutyl-amino]methylBLAHone [[(2S)-3-ethoxy-2-hydroxy-propyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.15 | 7.3 | -51.75 | 3 | 6 | 1 | 80 | 380.534 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 4.01 | -52.09 | 2 | 6 | 0 | 83 | 379.526 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 4.72 | -15.47 | 2 | 6 | 0 | 78 | 379.526 | 9 | ↓ |